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2- (2-chlorophenoxy) aniline

CAT: 0024-sc-273765Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-273765Size:250 mg
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CAS Number
56966-47-3

Chemical Information

2-(2-Chlorophenoxy)aniline
CAS Number56966-47-3
PubChem CID12569012
IUPAC Name2-(2-chlorophenoxy)aniline
Molecular FormulaC12H10ClNO
Molecular Weight219.66
XLogP3.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity200
SMILES
C1=CC=C(C(=C1)N)OC2=CC=CC=C2Cl
InChI
InChI=1S/C12H10ClNO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,14H2
InChIKey
KSDCPEXSRBLIRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Chlorophenoxy)aniline
CAS: 56966-47-3
CID: 12569012
Formula: C12H10ClNO
MW: 219.66
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight219.66
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass219.0450916
Monoisotopic Mass219.0450916
Topological Polar Surface Area35.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes